B80XLB
  -OEChem-04022103293D

 40 44  0     0  0  0  0  0  0999 V2000
   -2.8442   -2.1721   -0.6416 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5452    0.8028   -0.6954 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4995   -0.9689    0.6459 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4296    1.6412   -2.0291 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1414   -0.9253   -0.1300 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9239   -0.3422    0.2332 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3812   -0.2592    0.0440 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8965   -1.2768   -0.0765 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3599    1.0399    0.6075 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9263    0.9504    0.7911 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4942   -2.3925   -0.6121 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1401    1.6247    0.9716 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4956   -1.1319    0.1128 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6022   -0.8568   -0.3262 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5790    1.7119    0.7866 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3414   -0.1831   -0.4326 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7836   -0.1754   -0.1192 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8386    0.6291   -0.2744 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7978   -0.1658   -0.1365 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7840   -0.4828    0.5616 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7863    1.1130    0.4176 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0157    1.3277   -0.5448 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9642   -0.9388    1.1727 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1810    0.8603    0.0719 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1579   -0.2527    0.9157 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8367    0.8232   -1.3136 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5260   -2.8318   -0.9891 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0005    1.4325    1.0931 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0853   -3.3250   -0.9772 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1171    2.6224    1.4067 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9537   -1.8958    0.7413 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6355   -1.8526   -0.7599 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6014    2.7113    1.2166 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7403   -0.6247   -0.4210 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2361    1.5343   -1.3220 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7208    1.6476    0.5634 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0311    2.1912   -1.2000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9568   -1.8025    1.8299 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1221    1.3735   -0.1096 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0799   -0.5924    1.3806 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  1  0  0  0  0
  1 11  1  0  0  0  0
  1 27  1  0  0  0  0
  2 17  1  0  0  0  0
  2 18  1  0  0  0  0
  2 35  1  0  0  0  0
  3 17  2  0  0  0  0
  3 20  1  0  0  0  0
  4 26  3  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  6  8  1  0  0  0  0
  6 10  1  0  0  0  0
  7  9  1  0  0  0  0
  7 14  2  0  0  0  0
  8 11  2  0  0  0  0
  8 13  1  0  0  0  0
  9 12  1  0  0  0  0
  9 15  2  0  0  0  0
 10 12  2  0  0  0  0
 10 28  1  0  0  0  0
 11 29  1  0  0  0  0
 12 30  1  0  0  0  0
 13 16  2  0  0  0  0
 13 31  1  0  0  0  0
 14 19  1  0  0  0  0
 14 32  1  0  0  0  0
 15 21  1  0  0  0  0
 15 33  1  0  0  0  0
 16 17  1  0  0  0  0
 16 26  1  0  0  0  0
 18 20  1  0  0  0  0
 18 22  2  0  0  0  0
 19 21  2  0  0  0  0
 19 34  1  0  0  0  0
 20 23  2  0  0  0  0
 21 36  1  0  0  0  0
 22 24  1  0  0  0  0
 22 37  1  0  0  0  0
 23 25  1  0  0  0  0
 23 38  1  0  0  0  0
 24 25  2  0  0  0  0
 24 39  1  0  0  0  0
 25 40  1  0  0  0  0
M  END

$$$$